General Information of the Compound
| Compound ID |
CP0532687
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| Compound Name |
US8933079, 9.3
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| Structure |
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| Formula |
C25H28N4O4
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| Molecular Weight |
448.523
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| Canonical SMILES |
COc1ccc(COc2cnn(CC(=O)c3ccc(CN4CCCC4)cc3C)c(=O)c2)nc1
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| InChI |
InChI=1S/C25H28N4O4/c1-18-11-19(15-28-9-3-4-10-28)5-8-23(18)24(30)16-29-25(31)12-22(14-27-29)33-17-20-6-7-21(32-2)13-26-20/h5-8,11-14H,3-4,9-10,15-17H2,1-2H3
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| InChIKey |
RRXRQBXYGVCMBC-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound